4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide

C26H34N2O7 — CID 3074361

IUPAC4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1-c1c(C(=O)N(CC)CC)cc(OC)c(OC)c1OC)OCO2
InChIInChI=1S/C26H34N2O7/c1-8-27(9-2)25(29)16-12-13-18-22(35-15-34-18)20(16)21-17(26(30)28(10-3)11-4)14-19(31-5)23(32-6)24(21)33-7/h12-14H,8-11,15H2,1-7H3
InChIKeyGHSZRHKHKSKWEA-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.07
Rot. Bonds10

About 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide

4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide (PubChem CID 3074361) has the molecular formula C26H34N2O7 and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
PubChem CID3074361
Molecular FormulaC26H34N2O7
Molecular Weight486.57 g/mol
Exact Mass486.24
IUPAC Name4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1-c1c(C(=O)N(CC)CC)cc(OC)c(OC)c1OC)OCO2
InChIInChI=1S/C26H34N2O7/c1-8-27(9-2)25(29)16-12-13-18-22(35-15-34-18)20(16)21-17(26(30)28(10-3)11-4)14-19(31-5)23(32-6)24(21)33-7/h12-14H,8-11,15H2,1-7H3
InChIKeyGHSZRHKHKSKWEA-UHFFFAOYSA-N
XLogP4.07
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide (CID 3074361) is 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1-c1c(C(=O)N(CC)CC)cc(OC)c(OC)c1OC)OCO2.
What is the InChIKey of 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is GHSZRHKHKSKWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O7/c1-8-27(9-2)25(29)16-12-13-18-22(35-15-34-18)20(16)21-17(26(30)28(10-3)11-4)14-19(31-5)23(32-6)24(21)33-7/h12-14H,8-11,15H2,1-7H3.
What are the key properties of 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide?
4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3074361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).